On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies-Reference-Cited by-同舟云学术

On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

Published:2010-05-26 Issue:7 Volume:6 Page:2071-2085
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jacquemin Denis¹,Perpète Eric A.¹,Ciofini Ilaria¹,Adamo Carlo¹,Valero Rosendo¹,Zhao Yan¹,Truhlar Donald G.¹

Affiliation:

1. Unité de Chimie Physique Théorique et Structurale (UCPTS), Facultés Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur, Belgium, Ecole Nationale Supérieure de Chimie de Paris, Laboratoire Electrochimie et Chimie Analytique, UMR CNRS-ENSCP no. 7575, 11, rue Pierre et Marie Curie, F-75321 Paris Cedex 05, France, Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, and Commercial Print Engine Lab, HP Laboratories, Hewlett...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100119e

Reference170 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Casida, M. E.InTime-Dependent Density-Functional Response Theory for Molecules;Chong, D. P., Ed.World Scientific:Singapore, 1995; Vol. 1, pp155−192.

3. Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

4. An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

5. Solvent Effects on the Electronic Spectra: An Extension of the Polarizable Continuum Model to the ZINDO Method

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